(13R,17R)-17-[(1R,2S)-1,2-dihydroxyheptyl]-1,5,10-triazabicyclo[11.4.0]heptadec-15-en-11-one

Base Information

Chemical Name:(13R,17R)-17-[(1R,2S)-1,2-dihydroxyheptyl]-1,5,10-triazabicyclo[11.4.0]heptadec-15-en-11-one
CAS No.:57682-64-1
Molecular Formula:C21H39N3O3
Molecular Weight:381.5527
Hs Code.:
DSSTox Substance ID:DTXSID20973282
Nikkaji Number:J238.645C

Synonyms:cannabisativine

Suppliers and Price of (13R,17R)-17-[(1R,2S)-1,2-dihydroxyheptyl]-1,5,10-triazabicyclo[11.4.0]heptadec-15-en-11-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 21 raw suppliers

Chemical Property of (13R,17R)-17-[(1R,2S)-1,2-dihydroxyheptyl]-1,5,10-triazabicyclo[11.4.0]heptadec-15-en-11-one

Chemical Property:

Vapor Pressure:1.64E-16mmHg at 25°C
Boiling Point:592.6°C at 760 mmHg
Flash Point:312.2°C
Density:1.1g/cm³
XLogP3:1.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:381.29914211
Heavy Atom Count:27
Complexity:458

Purity/Quality:: 99% ,98%,Electron Grade , ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC(C(C1C=CCC2N1CCCNCCCCNC(=O)C2)O)O
Isomeric SMILES:CCCCC[C@@H]([C@@H]([C@H]1C=CC[C@H]2N1CCCNCCCCNC(=O)C2)O)O

Technology Process of (13R,17R)-17-[(1R,2S)-1,2-dihydroxyheptyl]-1,5,10-triazabicyclo[11.4.0]heptadec-15-en-11-one

There total 17 articles about (13R,17R)-17-[(1R,2S)-1,2-dihydroxyheptyl]-1,5,10-triazabicyclo[11.4.0]heptadec-15-en-11-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 82.0%

: 91377-18-3
(4R,15aR)-4-((1R,2S)-1,2-Dihydroxy-heptyl)-8-(toluene-4-sulfonyl)-1,4,6,7,8,9,10,11,12,13,15,15a-dodecahydro-5H-4a,8,13-triaza-benzocyclotridecen-14-one

: 57682-64-1,91423-27-7,135266-71-6
(+/-)-cannabisativine

Guidance literature:: With sodium; In tetrahydrofuran; ammonia;
DOI:10.1016/S0040-4039(01)80076-9

Reference yield: 70.0%

: 98262-80-7,98392-12-2
(4R,15aR)-4-((1R,2S)-2-Acetoxy-1-hydroxy-heptyl)-14-oxo-1,4,6,7,9,10,11,12,13,14,15,15a-dodecahydro-5H-4a,8,13-triaza-benzocyclotridecene-8-carboxylic acid tert-butyl ester

: 57682-64-1,91423-27-7,135266-71-6
(+/-)-cannabisativine

Guidance literature:: With hydrogenchloride; In dichloromethane;
DOI:10.1016/S0040-4039(00)98972-X

Reference yield:

: (2R,6S)-6-((1S,2R)-1,2-Bis-methoxymethoxy-heptyl)-2-(2,2-diethoxy-ethyl)-1,2,3,6-tetrahydro-pyridine

: 57682-64-1,91423-27-7,135266-71-6
(+/-)-cannabisativine

Guidance literature:: Multi-step reaction with 8 steps

1: 87 percent / K₂CO₃ / benzene; toluene; H₂O / 0 - 10 °C

2: 85 percent / LiAlH₄ / tetrahydrofuran / Heating

3: 96 percent / K₂CO₃ / dimethylformamide / Ambient temperature

4: 80percent aq. NH₂NH₂ / ethanol / Ambient temperature

5: 70 percent / Et₃N / CH₂Cl₂ / -78 °C

8: 82 percent / Na / tetrahydrofuran; liquid ammonia

With lithium aluminium tetrahydride; sodium; potassium carbonate; hydrazine hydrate; triethylamine; In tetrahydrofuran; ethanol; dichloromethane; ammonia; water; N,N-dimethyl-formamide; toluene; benzene;
DOI:10.1016/S0040-4039(01)80076-9